Geometry & MOs

Info

ID:

323379

PubChem CID:

126674645

Reduced:

F3N4O4C20H23 (1)

Stoich.:

A3B4C4D20E23 (1)

Weight, g/mol:

482.266839

ΔHf, kcal/mol:

-279.74

Dipole, Da:

7.45

IP(EA), eV:

 -9.28(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,7S,9R,16S)-15-[(1S)-1-[5-(methoxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-ene-3,6-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1NC(=O)NC2CCC(CC2)OC3=NC=CC=N3)C(F)(F)F)CO

DOS

IR

Vibrations